[(1R,5R)-5-(methoxymethyl)-3-methyl-8-oxabicyclo[3.2.1]octa-2,6-dien-1-yl]methanol

C11H16O3 — CID 130349036

IUPAC[(1R,5R)-5-(methoxymethyl)-3-methyl-8-oxabicyclo[3.2.1]octa-2,6-dien-1-yl]methanol
SMILESCOC[C@]12C=C[C@](CO)(C=C(C)C1)O2
InChIInChI=1S/C11H16O3/c1-9-5-10(7-12)3-4-11(6-9,14-10)8-13-2/h3-5,12H,6-8H2,1-2H3/t10-,11+/m1/s1
InChIKeyKTPHNXVTYHFGLS-MNOVXSKESA-N
MW196.25 g/mol
LogP1.04
Rot. Bonds3

About [(1R,5R)-5-(methoxymethyl)-3-methyl-8-oxabicyclo[3.2.1]octa-2,6-dien-1-yl]methanol

[(1R,5R)-5-(methoxymethyl)-3-methyl-8-oxabicyclo[3.2.1]octa-2,6-dien-1-yl]methanol (PubChem CID 130349036) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is [(1R,5R)-5-(methoxymethyl)-3-methyl-8-oxabicyclo[3.2.1]octa-2,6-dien-1-yl]methanol.

Molecular Properties

Compound Name[(1R,5R)-5-(methoxymethyl)-3-methyl-8-oxabicyclo[3.2.1]octa-2,6-dien-1-yl]methanol
PubChem CID130349036
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name[(1R,5R)-5-(methoxymethyl)-3-methyl-8-oxabicyclo[3.2.1]octa-2,6-dien-1-yl]methanol
SMILESCOC[C@]12C=C[C@](CO)(C=C(C)C1)O2
InChIInChI=1S/C11H16O3/c1-9-5-10(7-12)3-4-11(6-9,14-10)8-13-2/h3-5,12H,6-8H2,1-2H3/t10-,11+/m1/s1
InChIKeyKTPHNXVTYHFGLS-MNOVXSKESA-N
XLogP1.04
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,5R)-5-(methoxymethyl)-3-methyl-8-oxabicyclo[3.2.1]octa-2,6-dien-1-yl]methanol?
The IUPAC name of [(1R,5R)-5-(methoxymethyl)-3-methyl-8-oxabicyclo[3.2.1]octa-2,6-dien-1-yl]methanol (CID 130349036) is [(1R,5R)-5-(methoxymethyl)-3-methyl-8-oxabicyclo[3.2.1]octa-2,6-dien-1-yl]methanol.
What is the SMILES notation for [(1R,5R)-5-(methoxymethyl)-3-methyl-8-oxabicyclo[3.2.1]octa-2,6-dien-1-yl]methanol?
The canonical SMILES for [(1R,5R)-5-(methoxymethyl)-3-methyl-8-oxabicyclo[3.2.1]octa-2,6-dien-1-yl]methanol is COC[C@]12C=C[C@](CO)(C=C(C)C1)O2.
What is the InChIKey of [(1R,5R)-5-(methoxymethyl)-3-methyl-8-oxabicyclo[3.2.1]octa-2,6-dien-1-yl]methanol?
The InChIKey is KTPHNXVTYHFGLS-MNOVXSKESA-N. The full InChI is InChI=1S/C11H16O3/c1-9-5-10(7-12)3-4-11(6-9,14-10)8-13-2/h3-5,12H,6-8H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of [(1R,5R)-5-(methoxymethyl)-3-methyl-8-oxabicyclo[3.2.1]octa-2,6-dien-1-yl]methanol?
[(1R,5R)-5-(methoxymethyl)-3-methyl-8-oxabicyclo[3.2.1]octa-2,6-dien-1-yl]methanol has a molecular weight of 196.25 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R)-5-(methoxymethyl)-3-methyl-8-oxabicyclo[3.2.1]octa-2,6-dien-1-yl]methanol is sourced from PubChem (CID 130349036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).